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Glutaric acid, 3-fluorobenzyl tetradecyl ester
SpectraBase Compound ID F5xFe1PiFLU
InChI InChI=1S/C26H41FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-30-25(28)18-15-19-26(29)31-22-23-16-14-17-24(27)21-23/h14,16-17,21H,2-13,15,18-20,22H2,1H3
InChIKey SWCRXJWYPNMASJ-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H41FO4
Exact Mass 436.298888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GATK7Ik6x6m
Name Glutaric acid, 3-fluorobenzyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.298887959 u
Formula C26H41FO4
InChI InChI=1S/C26H41FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-30-25(28)18-15-19-26(29)31-22-23-16-14-17-24(27)21-23/h14,16-17,21H,2-13,15,18-20,22H2,1H3
InChIKey SWCRXJWYPNMASJ-UHFFFAOYSA-N
Molecular Weight 436.608 g/mol
SMILES C(OCC1=CC=CC(=C1)F)(=O)CCCC(OCCCCCCCCCCCCCC)=O